Common Name: [(1S,4S,5S,6R,9S,10R,11R,12R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-4-{[(2Z)-2-methyl-2-butenoyl]oxy}-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-11-yl]methyl benzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H38O8/c1-6-17(2)28(36)40-27-18(3)14-31-19(4)12-23-24(22(26(31)35)13-21(15-33)25(34)32(27,31)38)30(23,5)16-39-29(37)20-10-8-7-9-11-20/h6-11,13-14,19,22-25,27,33-34,38H,12,15-16H2,1-5H3/b17-6-/t19-,22+,23-,24+,25-,27+,30-,31+,32+/m1/s1
InChIKey: InChIKey=WDZQMGLXMSFDSW-DVVAAHQGSA-N
Formula: C32H38O8
Molecular Weight: 550.640537
Exact Mass: 550.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., SanzCervera, J.F., Yuste, A. Phytochemistry (1997) 45, 563-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Position | PPM |
---|---|
1 (CH) | 131.6 |
2 (C) | 136.2 |
3 (CH) | 82.2 |
4 (C) | 84.9 |
5 (CH) | 76.6 |
6 (C) | 139.7 |
7 (CH) | 127.2 |
8 (CH) | 43.2 |
9 (C) | 205.9 |
10 (C) | 72 |
11 (CH) | 38.4 |
12 (CH2) | 30.9 |
13 (CH) | 24.3 |
14 (CH) | 23.5 |
15 (C) | 27.7 |
16 (CH3) | 24.6 |
17 (CH2) | 66.2 |
18 (CH3) | 16.9 |
19 (CH3) | 15.6 |
20 (CH2) | 67.2 |
3a (C) | 168.4 |
3b (C) | 127.2 |
3c (CH) | 139.8 |
3d (CH3) | 15.9 |
3ba (CH3) | 20.8 |
17a (C) | 166.7 |
17b (C) | 133 |
17c (CH) | 129.6 |
17d (CH) | 130.3 |
17e (CH) | 128.4 |
17f (CH) | 130.3 |
17g (CH) | 129.6 |